
TY  - JOUR
A1  - Hambley, TW 
A1  - Searle, GH 
A1  - Snow, MR 
T1  - The structure of mer-bis[di(3-aminopropyl)amine]cobalt(III) perchlorate, and an energy minimization analysis of the [Co(dpt)<sub>2</sub>]<sup>3+</sup> system
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1982
VL  - 35
IS  - 7
SP  - 1285
EP  - 1295
KW  - 
UR  - https://doi.org/10.1071/CH9821285 
N2  - X-ray crystallographic analysis shows that the isolated [Co(dpt)2](ClO4)3 [dpt = di(3-aminopropyl)-amine] is the mer geometric isomer. All four six-membered chelate rings of the complex adopt flattened chair conformations, and substantial internal strain is evident in the structure. The crystals are monoclinic, space group P21/c, with a 15.259(3), b 10.646(2), c 15.367(3) Å, &#946; 9935(1)º. The structure was refined by blocked-matrix least-squares techniques to an R factor (on 1731 F) of 0.042. A molecular mechanics study of the [Co(dpt)2]3+ system shows that the structure (geometric isomer and conformer) having the lowest strain energy is mer-(chair, chair, chair, chair) which is that observed in the solid state, and predicts its coexistence in solution with several other conformers, particularly mer-(chair, chair, chair, &#955;-skew) and mer-(chair, chair, &#948;skew, chair). The calculated isomer proportions are mer » u-fac > s-fac in accordance with the experimental observation of the mer only. The substantially higher strain energy of the mer isomer compared to mer-[Co(dien)2]3+ accounts for the tendency to hydrolysis of mer-[Co(dpt)2]3+. 
ER  -

